N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 463415
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: C1(=O)NC(=O)CN1CC(=O)NC(c1cc(c(cc1)C)C)c1cnccc1
• Canonical SMILES: O=C(CN1CC(=O)NC1=O)NC(c1ccc(c(c1)C)C)c1cccnc1
• InChI: InChI=1S/C19H20N4O3/c1-12-5-6-14(8-13(12)2)18(15-4-3-7-20-9-15)21-16(24)10-23-11-17(25)22-19(23)26/h3-9,18H,10-11H2,1-2H3,(H,21,24)(H,22,25,26)
• InChIKey: GSPPNVIMFZYRNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617383
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9219067
• LogD (pH = 7.4): 0.9825765
• Log P: 0.986056
• Molar Refractivity: 95.5672 cm^3
• Polarizability: 36.51379 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.87
• LOG S: -1.21
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5